7-(6-methyldodecan-6-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C18H34N4 — CID 138606450

IUPAC7-(6-methyldodecan-6-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCCCCC(C)(CCCCC)N1CCn2cnnc2C1
InChIInChI=1S/C18H34N4/c1-4-6-8-10-12-18(3,11-9-7-5-2)22-14-13-21-16-19-20-17(21)15-22/h16H,4-15H2,1-3H3
InChIKeyKPPMRYCAOSTHJW-UHFFFAOYSA-N
MW306.50 g/mol
LogP4.40
Rot. Bonds10

About 7-(6-methyldodecan-6-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-(6-methyldodecan-6-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 138606450) has the molecular formula C18H34N4 and a molecular weight of 306.50 g/mol. Its IUPAC name is 7-(6-methyldodecan-6-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-(6-methyldodecan-6-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID138606450
Molecular FormulaC18H34N4
Molecular Weight306.50 g/mol
Exact Mass306.28
IUPAC Name7-(6-methyldodecan-6-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCCCCC(C)(CCCCC)N1CCn2cnnc2C1
InChIInChI=1S/C18H34N4/c1-4-6-8-10-12-18(3,11-9-7-5-2)22-14-13-21-16-19-20-17(21)15-22/h16H,4-15H2,1-3H3
InChIKeyKPPMRYCAOSTHJW-UHFFFAOYSA-N
XLogP4.40
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-(Cyclohexylmethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine
CID 53193669
3-[[(2S)-2-cyclohexylazepan-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 124742014
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6,6,6-trifluoro-2-methylhexan-1-amine
CID 116535328
7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 59346780
7-(2,3-dimethylbutan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 89994841
7-(2-methylbutan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 123667679
7-(2,3,3-trimethylhexan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 129125990
7-(2-methylbutan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
CID 129272800
7-nonan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 129282119
7-(5-methylhexan-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 132079026
6,6-dimethyl-3-tridecan-7-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 132081093
7-(2,3,3-trimethylpentan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 134604692

Frequently Asked Questions

What is the IUPAC name of 7-(6-methyldodecan-6-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-(6-methyldodecan-6-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 138606450) is 7-(6-methyldodecan-6-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-(6-methyldodecan-6-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-(6-methyldodecan-6-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CCCCCCC(C)(CCCCC)N1CCn2cnnc2C1.
What is the InChIKey of 7-(6-methyldodecan-6-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is KPPMRYCAOSTHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4/c1-4-6-8-10-12-18(3,11-9-7-5-2)22-14-13-21-16-19-20-17(21)15-22/h16H,4-15H2,1-3H3.
What are the key properties of 7-(6-methyldodecan-6-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-(6-methyldodecan-6-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 306.50 g/mol, XLogP of 4.40, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-methyldodecan-6-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 138606450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).